Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.7346    0.9577    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793   -0.1149   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8262   -0.1082   -0.7792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -0.1471   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548   -0.1929    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -0.2306    1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430   -0.2227    1.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.1768   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5672   -0.1397   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128   -0.1664   -1.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6527    0.9705    0.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5080    1.8694   -0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620   -0.9892    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   -0.1979    1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8307   -0.2654    2.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9011   -0.2517    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5048   -0.1044   -2.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544    0.8121   -1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8941   -0.9341   -2.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9335   -0.3676   -0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers